(4S)-2,4-dibromo-3-methylpentane

C6H12Br2 — CID 163722400

IUPAC(4S)-2,4-dibromo-3-methylpentane
SMILESCC(Br)C(C)[C@H](C)Br
InChIInChI=1S/C6H12Br2/c1-4(5(2)7)6(3)8/h4-6H,1-3H3/t4?,5-,6?/m0/s1
InChIKeyKSRPKAOSVLZAPG-XRVVJQKQSA-N
MW243.97 g/mol
LogP3.19
Rot. Bonds2

About (4S)-2,4-dibromo-3-methylpentane

(4S)-2,4-dibromo-3-methylpentane (PubChem CID 163722400) has the molecular formula C6H12Br2 and a molecular weight of 243.97 g/mol. Its IUPAC name is (4S)-2,4-dibromo-3-methylpentane.

Molecular Properties

Compound Name(4S)-2,4-dibromo-3-methylpentane
PubChem CID163722400
Molecular FormulaC6H12Br2
Molecular Weight243.97 g/mol
Exact Mass241.93
IUPAC Name(4S)-2,4-dibromo-3-methylpentane
SMILESCC(Br)C(C)[C@H](C)Br
InChIInChI=1S/C6H12Br2/c1-4(5(2)7)6(3)8/h4-6H,1-3H3/t4?,5-,6?/m0/s1
InChIKeyKSRPKAOSVLZAPG-XRVVJQKQSA-N
XLogP3.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.97
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-2,4-dibromo-3-methylpentane?
The IUPAC name of (4S)-2,4-dibromo-3-methylpentane (CID 163722400) is (4S)-2,4-dibromo-3-methylpentane.
What is the SMILES notation for (4S)-2,4-dibromo-3-methylpentane?
The canonical SMILES for (4S)-2,4-dibromo-3-methylpentane is CC(Br)C(C)[C@H](C)Br.
What is the InChIKey of (4S)-2,4-dibromo-3-methylpentane?
The InChIKey is KSRPKAOSVLZAPG-XRVVJQKQSA-N. The full InChI is InChI=1S/C6H12Br2/c1-4(5(2)7)6(3)8/h4-6H,1-3H3/t4?,5-,6?/m0/s1.
What are the key properties of (4S)-2,4-dibromo-3-methylpentane?
(4S)-2,4-dibromo-3-methylpentane has a molecular weight of 243.97 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,4-dibromo-3-methylpentane is sourced from PubChem (CID 163722400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).